chempirical

Lasmiditan

C19H18F3N3O2CAS 439239-90-4377.37 g/mol

Open in Covalent MOL file
NOHNOFFFN
Aryl halideKetoneTertiary amine

Properties

Molecular formula
C19H18F3N3O2
Molar mass
377.37 g/mol
Exact mass
377.1351 Da
Melting point
255 °C
logP
3.66Crippen estimate
Polar surface area
65.8 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
4

Identifiers

CAS number
439239-90-4
SMILES
CN1CCC(C(=O)c2cccc(N=C(O)c3c(F)cc(F)cc3F)n2)CC1
InChIKey
XEDHVZKDSYZQBF-UHFFFAOYSA-N
InChI
InChI=1S/C19H18F3N3O2/c1-25-7-5-11(6-8-25)18(26)15-3-2-4-16(23-15)24-19(27)17-13(21)9-12(20)10-14(17)22/h2-4,9-11H,5-8H2,1H3,(H,23,24,27)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names
  • Benzamide, 2,4,6-trifluoro-N-[6-[(1-methyl-4-piperidinyl)carbonyl]-2-pyridinyl]-
  • 2,4,6-Trifluoro-N-[6-[(1-methyl-4-piperidinyl)carbonyl]-2-pyridinyl]benzamide
  • COL 144
  • LY 573144
  • 2,4,6-Trifluoro-N-[6-(1-methylpiperidine-4-carbonyl)pyridin-2-yl]benzamide

Work with Lasmiditan

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Lasmiditan succinate439239-92-690 % similar Loratadine ketone130642-50-139 % similar 2,4,6-Trifluorobenzoic acid28314-80-934 % similar (2,4-Difluorophenyl)(piperidin-4-yl)methanone hydrochloride106266-04-031 % similar 2-Amino-4,6-difluorobenzoic acid126674-77-931 % similar Ketanserin74050-98-930 % similar 3-(4-Methyl-1-piperazinyl)benzoic acid215309-01-630 % similar Difloxacin98106-17-330 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook